2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-octyl-ethanamide

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-octyl-ethanamide Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-octyl-acetamide CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-octylacetamide IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-octylacetamide Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-octyl-acetamide Formula: C17H24N4O3S MolecularWeight: 364.46246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCNC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3S/c1-2-3-4-5-6-7-10-18-16(22)12-25-17-19-14-9-8-13(21(23)24)11-15(14)20-17/h8-9,11H,2-7,10,12H2,1H3,(H,18,22)(H,19,20)